Klauda JB - Search Results

1

Cholesterol flip-flop: insights from free energy simulation studies.

Jo S, Rui H, Lim JB, Klauda JB, Im W. Jo S, et al. Among authors: klauda jb. J Phys Chem B. 2010 Oct 28;114(42):13342-8. doi: 10.1021/jp108166k. J Phys Chem B. 2010. PMID: 20923227

2

Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.

Yu Y, Venable RM, Thirman J, Chatterjee P, Kumar A, Pastor RW, Roux B, MacKerell AD Jr, Klauda JB. Yu Y, et al. Among authors: klauda jb. J Chem Theory Comput. 2023 May 9;19(9):2590-2605. doi: 10.1021/acs.jctc.3c00203. Epub 2023 Apr 18. J Chem Theory Comput. 2023. PMID: 37071552 Free PMC article.

3

Understanding how transmembrane domains regulate interactions between human BST-2 and the SARS-CoV-2 accessory protein ORF7a.

Mann MM, Hsieh MK, Tang JD, Hart WS, Lazzara MJ, Klauda JB, Berger BW. Mann MM, et al. Among authors: klauda jb. Biochim Biophys Acta Biomembr. 2023 Aug;1865(6):184174. doi: 10.1016/j.bbamem.2023.184174. Epub 2023 May 19. Biochim Biophys Acta Biomembr. 2023. PMID: 37211321 Free PMC article.

4

Simulations of naïve and KLA-activated macrophage plasma membrane models.

Niu Y, Chen SJ, Klauda JB. Niu Y, et al. Among authors: klauda jb. Biochim Biophys Acta Biomembr. 2024 Jan;1866(1):184242. doi: 10.1016/j.bbamem.2023.184242. Epub 2023 Oct 21. Biochim Biophys Acta Biomembr. 2024. PMID: 37866689 Free article.

5

An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer.

Klauda JB, Brooks BR, MacKerell AD Jr, Venable RM, Pastor RW. Klauda JB, et al. J Phys Chem B. 2005 Mar 24;109(11):5300-11. doi: 10.1021/jp0468096. J Phys Chem B. 2005. PMID: 16863197

6

CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes.

Jo S, Lim JB, Klauda JB, Im W. Jo S, et al. Among authors: klauda jb. Biophys J. 2009 Jul 8;97(1):50-8. doi: 10.1016/j.bpj.2009.04.013. Biophys J. 2009. PMID: 19580743 Free PMC article.

7

Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types.

Klauda JB, Venable RM, Freites JA, O'Connor JW, Tobias DJ, Mondragon-Ramirez C, Vorobyov I, MacKerell AD Jr, Pastor RW. Klauda JB, et al. J Phys Chem B. 2010 Jun 17;114(23):7830-43. doi: 10.1021/jp101759q. J Phys Chem B. 2010. PMID: 20496934 Free PMC article.

8

Lipid chain branching at the iso- and anteiso-positions in complex Chlamydia membranes: a molecular dynamics study.

Lim JB, Klauda JB. Lim JB, et al. Among authors: klauda jb. Biochim Biophys Acta. 2011 Jan;1808(1):323-31. doi: 10.1016/j.bbamem.2010.07.036. Epub 2010 Aug 6. Biochim Biophys Acta. 2011. PMID: 20692231 Free article.

9

Sterol binding and membrane lipid attachment to the Osh4 protein of yeast.

Rogaski B, Lim JB, Klauda JB. Rogaski B, et al. Among authors: klauda jb. J Phys Chem B. 2010 Oct 28;114(42):13562-73. doi: 10.1021/jp106890e. J Phys Chem B. 2010. PMID: 20925360

10

Orientation of fluorescent lipid analogue BODIPY-PC to probe lipid membrane properties: insights from molecular dynamics simulations.

Song KC, Livanec PW, Klauda JB, Kuczera K, Dunn RC, Im W. Song KC, et al. Among authors: klauda jb. J Phys Chem B. 2011 May 19;115(19):6157-65. doi: 10.1021/jp109629v. Epub 2011 Apr 22. J Phys Chem B. 2011. PMID: 21513278 Free PMC article.

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